8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine

C14H10F3N5 — CID 157024550

IUPAC8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
SMILESC#CCn1cc(-c2cnc3c(C)nccn23)c(C(F)(F)F)n1
InChIInChI=1S/C14H10F3N5/c1-3-5-21-8-10(12(20-21)14(15,16)17)11-7-19-13-9(2)18-4-6-22(11)13/h1,4,6-8H,5H2,2H3
InChIKeyGGJLZQPOMCRJJR-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.55
Rot. Bonds2

About 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine

8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine (PubChem CID 157024550) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
PubChem CID157024550
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
SMILESC#CCn1cc(-c2cnc3c(C)nccn23)c(C(F)(F)F)n1
InChIInChI=1S/C14H10F3N5/c1-3-5-21-8-10(12(20-21)14(15,16)17)11-7-19-13-9(2)18-4-6-22(11)13/h1,4,6-8H,5H2,2H3
InChIKeyGGJLZQPOMCRJJR-UHFFFAOYSA-N
XLogP2.55
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2,6-dimethyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 168822570
(3,3-dimethylcyclobutyl)-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]phenyl]methanone
CID 168822238
2-ethyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 168861735
(3-methylcyclobutyl)-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822726
N-butyl-2-ethyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzamide
CID 168822261
cyclohexyl-[4-[2-methyl-4-[[3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]benzoyl]piperazin-1-yl]methanone
CID 168822500
8-chloro-3-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
CID 157025397
tert-butyl 4-[4-[[3-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazine-1-carboxylate
CID 162384502
N-[(2R)-1-aminopropan-2-yl]-2-fluoro-4-[[3-[1-(2-fluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-6-methylbenzamide
CID 157024551
N-[2-[(3-aminocyclobutanecarbonyl)amino]ethyl]-4-[[3-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-ethylbenzamide
CID 168822295
[2-[4-[4-[[3-[1-(cyanomethyl)-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylbenzoyl]piperazin-1-yl]-2-oxoethyl]-trimethylazanium formate
CID 162384658
[4-[[3-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]methyl]-2-methylphenyl]-piperidin-1-ylmethanone
CID 168822676

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine (CID 157024550) is 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine is C#CCn1cc(-c2cnc3c(C)nccn23)c(C(F)(F)F)n1.
What is the InChIKey of 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine?
The InChIKey is GGJLZQPOMCRJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c1-3-5-21-8-10(12(20-21)14(15,16)17)11-7-19-13-9(2)18-4-6-22(11)13/h1,4,6-8H,5H2,2H3.
What are the key properties of 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine?
8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine has a molecular weight of 305.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[1-prop-2-ynyl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157024550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).